1-(2-chloropropanoyl)piperidine-3-carboxamide

C9H15ClN2O2 — CID 24691104

IUPAC1-(2-chloropropanoyl)piperidine-3-carboxamide
SMILESCC(Cl)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C9H15ClN2O2/c1-6(10)9(14)12-4-2-3-7(5-12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13)
InChIKeyCWSRTEPZYFRXCX-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.34
Rot. Bonds2

About 1-(2-chloropropanoyl)piperidine-3-carboxamide

1-(2-chloropropanoyl)piperidine-3-carboxamide (PubChem CID 24691104) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(2-chloropropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloropropanoyl)piperidine-3-carboxamide
PubChem CID24691104
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-(2-chloropropanoyl)piperidine-3-carboxamide
SMILESCC(Cl)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C9H15ClN2O2/c1-6(10)9(14)12-4-2-3-7(5-12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13)
InChIKeyCWSRTEPZYFRXCX-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497963
(2S)-2-chloro-1-[(3R)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497960
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide
CID 21301388
1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037918
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropanoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-chloropropanoyl)piperidine-3-carboxamide (CID 24691104) is 1-(2-chloropropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloropropanoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chloropropanoyl)piperidine-3-carboxamide is CC(Cl)C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-chloropropanoyl)piperidine-3-carboxamide?
The InChIKey is CWSRTEPZYFRXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-6(10)9(14)12-4-2-3-7(5-12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13).
What are the key properties of 1-(2-chloropropanoyl)piperidine-3-carboxamide?
1-(2-chloropropanoyl)piperidine-3-carboxamide has a molecular weight of 218.68 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 24691104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).